[3-[(2-azanyl-4-oxidanylidene-1,3-thiazol-5-ylidene)methyl]phenyl] 4-tert-butylbenzoate

Systemtic Name: [3-[(2-azanyl-4-oxidanylidene-1,3-thiazol-5-ylidene)methyl]phenyl] 4-tert-butylbenzoate Openeye Name: [3-[(2-amino-4-oxo-thiazol-5-ylidene)methyl]phenyl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [3-[(2-amino-4-oxo-5-thiazolylidene)methyl]phenyl] ester IUPAC Name: [3-[(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]phenyl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [3-[(2-amino-4-keto-2-thiazolin-5-ylidene)methyl]phenyl] ester Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)C=C3C(=O)N=C(S3)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)C=C3C(=O)N=C(S3)N

InChI

InChI=1S/C21H20N2O3S/c1-21(2,3)15-9-7-14(8-10-15)19(25)26-16-6-4-5-13(11-16)12-17-18(24)23-20(22)27-17/h4-12H,1-3H3,(H2,22,23,24)